CID 61254322

4-(4-bromo-1h-pyrazol-1-yl)pyrimidine

Structural Information

Molecular Formula
C7H5BrN4
SMILES
C1=CN=CN=C1N2C=C(C=N2)Br
InChI
InChI=1S/C7H5BrN4/c8-6-3-11-12(4-6)7-1-2-9-5-10-7/h1-5H
InChIKey
ZRLMNBQRJUGUDW-UHFFFAOYSA-N
Compound name
4-(4-bromopyrazol-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.96976 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.97704 134.5
[M+Na]+ 246.95898 148.2
[M-H]- 222.96248 139.3
[M+NH4]+ 242.00358 153.0
[M+K]+ 262.93292 137.5
[M+H-H2O]+ 206.96702 132.6
[M+HCOO]- 268.96796 154.7
[M+CH3COO]- 282.98361 149.8
[M+Na-2H]- 244.94443 144.1
[M]+ 223.96921 153.2
[M]- 223.97031 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.